UCSF

ZINC36754102

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 3.75 -48.96 4 4 1 60 317.24 4
Lo Low (pH 4.5-6) 1.94 5.98 -112.08 5 4 2 61 318.248 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )